ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
Compound ID: | M043-0309 |
Compound Name: | ethyl 2-(2-{[6-(cyclohexanesulfonyl)pyridazin-3-yl]sulfanyl}acetamido)benzoate |
Molecular Weight: | 463.57 |
Molecular Formula: | C21 H25 N3 O5 S2 |
Smiles: | CCOC(c1ccccc1NC(CSc1ccc(nn1)S(C1CCCCC1)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.6473 |
logD: | 3.6308 |
logSw: | -3.7728 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 93.744 |
InChI Key: | YZQPFUUDXKNHRV-UHFFFAOYSA-N |